N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine

C21H16N4O2 — CID 69371435

IUPACN-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccc3cnn(C=Cc4ccccc4)c3c2)c1
InChIInChI=1S/C21H16N4O2/c26-25(27)20-8-4-7-18(13-20)23-19-10-9-17-15-22-24(21(17)14-19)12-11-16-5-2-1-3-6-16/h1-15,23H
InChIKeyHNCSXWVNRIAOEU-UHFFFAOYSA-N
MW356.39 g/mol
LogP5.32
Rot. Bonds5

About N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine

N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine (PubChem CID 69371435) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine
PubChem CID69371435
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccc3cnn(C=Cc4ccccc4)c3c2)c1
InChIInChI=1S/C21H16N4O2/c26-25(27)20-8-4-7-18(13-20)23-19-10-9-17-15-22-24(21(17)14-19)12-11-16-5-2-1-3-6-16/h1-15,23H
InChIKeyHNCSXWVNRIAOEU-UHFFFAOYSA-N
XLogP5.32
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine?
The IUPAC name of N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine (CID 69371435) is N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine.
What is the SMILES notation for N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine?
The canonical SMILES for N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine is O=[N+]([O-])c1cccc(Nc2ccc3cnn(C=Cc4ccccc4)c3c2)c1.
What is the InChIKey of N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine?
The InChIKey is HNCSXWVNRIAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-25(27)20-8-4-7-18(13-20)23-19-10-9-17-15-22-24(21(17)14-19)12-11-16-5-2-1-3-6-16/h1-15,23H.
What are the key properties of N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine?
N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine has a molecular weight of 356.39 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-(2-phenylethenyl)indazol-6-amine is sourced from PubChem (CID 69371435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).